Electronic Structure, Magnetic and Pairing Tendencies of Alternating Single-layer Bilayer Stacking Nickelate La$_5$Ni$_3$O$_{11}$ Under Pressure
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arXiv
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| Autori principali: | , , , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2025
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| _version_ | 1866914140866478080 |
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| author | Zhang, Yang Lin, Ling-Fang Moreo, Adriana Okamoto, Satoshi Maier, Thomas A. Dagotto, Elbio |
| author_facet | Zhang, Yang Lin, Ling-Fang Moreo, Adriana Okamoto, Satoshi Maier, Thomas A. Dagotto, Elbio |
| contents | Nickelates have continued to surprise since their unconventional superconductivity was discovered. Recently, the layered nickelate La$_5$Ni$_3$O$_{11}$ with hybrid single-layer and bilayer stacking showed superconductivity under high pressure. This compound combines features of La$_2$NiO$_4$ and La$_3$Ni$_2$O$_7$, but its pairing mechanism remains to be understood. Motivated by this finding, here we report a comprehensive theoretical study of this system. Our density functional theory calculations reveal that the undistorted P4/mmm phase without pressure is unstable due to three distortion modes. Increasing pressure suppresses these modes and causes ``charge transfer'' between the single-layer and bilayer sublattices, leading to hole-doping in the single-layer blocks. Our random-phase approximation calculations indicate a leading $d_{x^2-y^2}$-wave pairing state that arises from spin-fluctuation scattering between Fermi surface states mainly originating from the single-layer blocks and additional weaker contributions from the bilayer blocks. These spin-fluctuations could be detected by inelastic neutron scattering as a strong peak at ${\bf q}=(π, π)$. Our findings distinguish La$_5$Ni$_3$O$_{11}$ from other nickelate superconductors discovered so far and the high-$T_c$ cuprates. We also discuss both similarities and differences between La$_5$Ni$_3$O$_{11}$ and other hybrid stacking nickelates. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2503_05075 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Electronic Structure, Magnetic and Pairing Tendencies of Alternating Single-layer Bilayer Stacking Nickelate La$_5$Ni$_3$O$_{11}$ Under Pressure Zhang, Yang Lin, Ling-Fang Moreo, Adriana Okamoto, Satoshi Maier, Thomas A. Dagotto, Elbio Superconductivity Strongly Correlated Electrons Nickelates have continued to surprise since their unconventional superconductivity was discovered. Recently, the layered nickelate La$_5$Ni$_3$O$_{11}$ with hybrid single-layer and bilayer stacking showed superconductivity under high pressure. This compound combines features of La$_2$NiO$_4$ and La$_3$Ni$_2$O$_7$, but its pairing mechanism remains to be understood. Motivated by this finding, here we report a comprehensive theoretical study of this system. Our density functional theory calculations reveal that the undistorted P4/mmm phase without pressure is unstable due to three distortion modes. Increasing pressure suppresses these modes and causes ``charge transfer'' between the single-layer and bilayer sublattices, leading to hole-doping in the single-layer blocks. Our random-phase approximation calculations indicate a leading $d_{x^2-y^2}$-wave pairing state that arises from spin-fluctuation scattering between Fermi surface states mainly originating from the single-layer blocks and additional weaker contributions from the bilayer blocks. These spin-fluctuations could be detected by inelastic neutron scattering as a strong peak at ${\bf q}=(π, π)$. Our findings distinguish La$_5$Ni$_3$O$_{11}$ from other nickelate superconductors discovered so far and the high-$T_c$ cuprates. We also discuss both similarities and differences between La$_5$Ni$_3$O$_{11}$ and other hybrid stacking nickelates. |
| title | Electronic Structure, Magnetic and Pairing Tendencies of Alternating Single-layer Bilayer Stacking Nickelate La$_5$Ni$_3$O$_{11}$ Under Pressure |
| topic | Superconductivity Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2503.05075 |